2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane

C12H20O3 — CID 153463977

IUPAC2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane
SMILESC=CCOCC(C)(COCC=C)C1CO1
InChIInChI=1S/C12H20O3/c1-4-6-13-9-12(3,11-8-15-11)10-14-7-5-2/h4-5,11H,1-2,6-10H2,3H3
InChIKeyNLURSXWHRCODSW-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.80
Rot. Bonds9

About 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane

2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane (PubChem CID 153463977) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane.

Molecular Properties

Compound Name2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane
PubChem CID153463977
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane
SMILESC=CCOCC(C)(COCC=C)C1CO1
InChIInChI=1S/C12H20O3/c1-4-6-13-9-12(3,11-8-15-11)10-14-7-5-2/h4-5,11H,1-2,6-10H2,3H3
InChIKeyNLURSXWHRCODSW-UHFFFAOYSA-N
XLogP1.80
TPSA30.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane?
The IUPAC name of 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane (CID 153463977) is 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane.
What is the SMILES notation for 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane?
The canonical SMILES for 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane is C=CCOCC(C)(COCC=C)C1CO1.
What is the InChIKey of 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane?
The InChIKey is NLURSXWHRCODSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-4-6-13-9-12(3,11-8-15-11)10-14-7-5-2/h4-5,11H,1-2,6-10H2,3H3.
What are the key properties of 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane?
2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane has a molecular weight of 212.29 g/mol, XLogP of 1.80, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-1,3-bis(prop-2-enoxy)propan-2-yl]oxirane is sourced from PubChem (CID 153463977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).